Benzoic Acid → 2-(1H-pyrazol-1-yl)benzonitrile
Reaction equation
[C:32]([c:33]1[nH:34][cH:35][cH:36][n:37]1)([c:38]1[nH:39][cH:40][cH:41][n:42]1)=[O:43].[CH2:53]([NH:54][CH2:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[c:62]1[cH:63][cH:64][c:65]2[c:69]([cH:70]1)[O:68][CH2:67][O:66]2.[O:1]1[c:2]2[cH:3][cH:4][c:5]([CH2:6][N:11]([CH2:7][c:8]3[cH:9][cH:10][cH:24][cH:25][cH:26]3)[C:12]([c:13]3[c:14](-[n:19]4[n:20][cH:21][cH:22][cH:23]4)[cH:15][cH:16][cH:17][cH:18]3)=[O:27])[cH:28][c:29]2[O:30][CH2:31]1.[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH:44][C:45]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)=[O:52]>>[N:11]#[C:12][c:13]1[c:14](-[n:19]2[n:20][cH:21][cH:22][cH:23]2)[cH:15][cH:16][cH:17][cH:18]1Participants
6
Sources & evidence
- ORD record
- ord-6b574c568fde46fab665263b08c359b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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